Basic information
- Name:
Propofol
- CAS No.:
2078-54-8
- Molecular Structure:
- Formula:
- C12H18O
- Molecular Weight:
- 178.27
- Deleted CAS:
- 50356-15-5|28449-97-0
- Synonyms:
- Phenol,2,6-diisopropyl- (6CI,8CI);2,6-Bis(1-methylethyl)phenol;2,6-Bis(isopropyl)phenol;2,6-Diisopropylphenol;Ampofol;Aquafol;Diprifusor;Diprivan;Diprivan 10;Diprofol;Disoprivan;Disoprofol;Fresofol;Ivofol;Pofol;Pronest;Propoflo;Propofol-lipuro;Propovan;Rapinovet;Recofol;
- EINECS:
- 218-206-6
- Density:
- 0.948 g/cm3
- Melting Point:
- 18 °C(lit.)
- Boiling Point:
- 256 °C at 760 mmHg
- Flash Point:
- 107.5 °C
- Appearance:
- light yellow liquid
- Hazard Symbols:
Xn- Risk Codes:
- 22-36/37/38-20/21/22
- Safety Description:
- 26-36/37/39-37/39-36 Details
- Transport Information:
- UN 2810
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Chemistry
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IUPAC Name: 2,6-Di(propan-2-yl)phenol
Molecular Formula: C12H18O
Molecular Weight: 178.27 g/mol
Canonical SMILES: c1(c(c(C(C)C)ccc1)O)C(C)C
InChI: InChI=1/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
EINECS: 218-206-6
Classification Code: Anesthetic; Anesthetics; Anesthetics, General; Anesthetics, intravenous; Central Nervous System Agents; Central Nervous System Depressants; Drug / Therapeutic Agent; Human Data; Hypnotics and Sedatives; Reproductive Effect
Product Categories: Heterocyclic Compounds; Intermediates & Fine Chemicals; Pharmaceuticals; GABA/Glycine receptor; GABA
Melting Point : 18 °C(lit.)
Molar Volume: 188 cm3
Polarizability: 22.4×10-24 cm3
Surface Tension: 33.5 dyne/cm
Density: 0.948 g/cm3
Flash Point: 107.5 °C
Enthalpy of Vaporization: 51.34 kJ/mol
Boiling Point: 256 °C at 760 mmHg
Storage temperature: 0-6 °C
Melting Point: 18 °C(lit.)
Water Solubility: 124 mg/L at 25 °C
Vapour Pressure of Propofol (CAS NO.2078-54-8): 3.05E-03 mm Hg at 25 °C
Uses
Propofol (CAS NO.2078-54-8) is used as a anesthetic used in veterinary medicine.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LD50 | intravenous | 30mg/kg (30mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 38, Pg. 1117, 1996. | |
| man | LDLo | intravenous | 386mg/kg/14D- (386mg/kg) | LUNGS, THORAX, OR RESPIRATION: PLEURAL THICKENING | Critical Care Medicine. Vol. 23, Pg. 1928, 1995. |
| man | TDLo | unreported | 2857ug/kg/1D- (2.857mg/kg) | BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" BEHAVIORAL: REGIDITY BEHAVIORAL: IRRITABILITY | Anaesthesia. Vol. 43, Pg. 170, 1988. |
| mouse | LD50 | intraperitoneal | 170mg/kg (170mg/kg) | Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 201, 1960. | |
| mouse | LD50 | intravenous | 50mg/kg (50mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: ANALGESIA BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) | Journal of Medicinal Chemistry. Vol. 23, Pg. 1350, 1980. |
| mouse | LD50 | oral | 1100mg/kg (1100mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 26, Pg. 953, 1995. | |
| rabbit | LDLo | intravenous | 20mg/kg (20mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: SLEEP BEHAVIORAL: MUSCLE WEAKNESS | Journal of Medicinal Chemistry. Vol. 23, Pg. 1350, 1980. |
| rat | LD50 | intravenous | 42mg/kg (42mg/kg) | Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 21, Pg. 11, 1993. | |
| rat | LD50 | oral | 500mg/kg (500mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 26, Pg. 953, 1995. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Poison by intravenous and intraperitoneal routes. Experimental reproductive effects. Combustible when exposed to heat or flame; can react with oxidizing materials. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and fumes. See also PHENOL.
Hazard Codes: 
Xn
Risk Statements: 22-36/37/38-20/21/22
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36/37/39-37/39-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S37/39: Wear suitable gloves and eye/face protection.
S36: Wear suitable protective clothing.
RIDADR: 2810
WGK Germany: 3
HazardClass: 6.1(b)
PackingGroup of Propofol (CAS NO.2078-54-8): III
Standards and Recommendations
ASSAY: 98.0 - 102.0% (titration)
WATER: 0.2% max
CHLORIDE: 300ppm max
IMPURITY: 0.3% max (total impurity); 0.2% max (individual impurity)
SOLVENT RESIDUE: 0.1% max
Specification
Propofol (CAS NO.2078-54-8), its Synonyms are Disoprofol ; Phenol, 2,6-bis(1-methylethyl)- ; Phenol, 2,6-diisopropyl- ; 2,6-Bis(1-methylethyl)phenol ; 2,6-Diisopropylphenol ; Ampofol ; Aquafo ; Diprivan Injectable emulsion ; Propofol-lipuro ; Propofolum and so on. It is light yellow liquid.